| Synthesis, Biological Evaluation, and Structure–Activity Relationships of Potent Noncovalent and Nonpeptidic Cruzain Inhibitors as Anti-Trypanosoma cruzi Agents RS Ferreira, MA Dessoy, I Pauli, ML Souza, R Krogh, AIL Sales, G Oliva, ... Journal of medicinal chemistry 57 (6), 2380-2392, 2014 | 94 | 2014 |
| Discovery of New Inhibitors of Mycobacterium tuberculosis InhA Enzyme Using Virtual Screening and a 3D-Pharmacophore-Based Approach I Pauli, RN Dos Santos, DC Rostirolla, LK Martinelli, RG Ducati, ... Journal of chemical information and modeling 53 (9), 2390-2401, 2013 | 94 | 2013 |
| Molecular modeling as a tool for drug discovery GB Barcellos, I Pauli, RA Caceres, LFS Macedo Timmers, R Dias, ... Current drug targets 9 (12), 1084-1091, 2008 | 31 | 2008 |
| Molecular modeling and structure–activity relationships for a series of benzimidazole derivatives as cruzain inhibitors I Pauli, LG Ferreira, ML de Souza, G Oliva, RS Ferreira, MA Dessoy, ... Future medicinal chemistry 9 (7), 641-657, 2017 | 29 | 2017 |
| In silico and in vitro: identifying new drugs I Pauli, LFS Macedo Timmers, RA Caceres, MB Pereira Soares, ... Current drug targets 9 (12), 1054-1061, 2008 | 27 | 2008 |
| Drug-binding databases LFS Macedo Timmers, I Pauli, RA Caceres, J de Azevedo, W Filgueira Current drug targets 9 (12), 1092-1099, 2008 | 26 | 2008 |
| Structure-Based and Molecular Modeling Studies for the Discovery of Cyclic Imides as Reversible Cruzain Inhibitors With Potent Anti-Trypanosoma cruzi Activity RAA Ferreira, I Pauli, TS Sampaio, ML de Souza, LLG Ferreira, ... Frontiers in chemistry 7, 798, 2019 | 25 | 2019 |
| Protein-drug interaction studies for development of drugs against Plasmodium falciparum J de Azevedo, F Walter, RA Caceres, I Pauli, LFSM Timmers, ... Current drug targets 10 (3), 271-278, 2009 | 25 | 2009 |
| Protein-drug interaction studies for development of drugs against Plasmodium falciparum J de Azevedo, F Walter, RA Caceres, I Pauli, LFSM Timmers, ... Current drug targets 10 (3), 271-278, 2009 | 25 | 2009 |
| Molecular modeling and dynamics studies of Shikimate Kinase from Bacillus anthracis I Pauli, RA Caceres, WF de Azevedo Jr Bioorganic & medicinal chemistry 16 (17), 8098-8108, 2008 | 23 | 2008 |
| Conformational changes in 2-trans-enoyl-ACP (CoA) reductase (InhA) from M. tuberculosis induced by an inorganic complex: a molecular dynamics simulation study ALP da Costa, I Pauli, M Dorn, EK Schroeder, CG Zhan, ... Journal of molecular modeling 18, 1779-1790, 2012 | 20 | 2012 |
| Conformational changes in 2-trans-enoyl-ACP (CoA) reductase (InhA) from M. tuberculosis induced by an inorganic complex: a molecular dynamics simulation study ALP da Costa, I Pauli, M Dorn, EK Schroeder, CG Zhan, ... Journal of molecular modeling 18, 1779-1790, 2012 | 20 | 2012 |
| Functional, thermodynamics, structural and biological studies of in silico-identified inhibitors of Mycobacterium tuberculosis enoyl-ACP(CoA) reductase enzyme LKB Martinelli, M Rotta, AD Villela, VS Rodrigues-Junior, BL Abbadi, ... Scientific Reports 7 (1), 46696, 2017 | 16 | 2017 |
| Bioinformatics tools for screening of antiparasitic drugs WF de Azevedo Junior, R Dias, LFS Macedo Timmers, I Pauli, ... Current drug targets 10 (3), 232-239, 2009 | 16 | 2009 |
| Bioinformatics tools for screening of antiparasitic drugs WF de Azevedo Junior, R Dias, LFS Macedo Timmers, I Pauli, ... Current drug targets 10 (3), 232-239, 2009 | 16 | 2009 |
| Molecular recognition models: a challenge to overcome RA Caceres, I Pauli, LFS Macedo Timmers, J de Azevedo, W Filgueira Current Drug Targets 9 (12), 1077-1083, 2008 | 15 | 2008 |
| Genomic databases and the search of protein targets for protozoan parasites LFSM Timmers, I Pauli, GB Barcellos, KB Rocha, RA Caceres, ... Current drug targets 10 (3), 240-245, 2009 | 12 | 2009 |
| De Azevedo Jr., WF (2008) L Timmers, I Pauli, RA Caceres Curr. Drug Targets 9 (12), 1092-1099, 0 | 11 | |
| De Azevedo Jr., WF (2008) I Pauli, L Timmers, RA Caceres, MBP Soares Curr. Drug Targets 9 (12), 1054-1061, 0 | 10 | |
| Crystal structure and molecular dynamics studies of human purine nucleoside phosphorylase complexed with 7-deazaguanine RA Caceres, LFSM Timmers, I Pauli, LM Gava, RG Ducati, LA Basso, ... Journal of structural biology 169 (3), 379-388, 2010 | 9 | 2010 |
